Predicted GC-MS Spectrum - Novobiocin GC-MS (TMS_3_8) - 70eV, Positive (HMDB0015185)
Spectrum Details
| HMDB ID: | HMDB0015185 |
|---|---|
| Compound Name: | Novobiocin |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CO[C@@H]1[C@@H](OC(=O)N[Si](C)(C)C)[C@@H](O)[C@H](OC2=CC=C3C(O[Si](C)(C)C)=C(NC(=O)C4=CC=C(O[Si](C)(C)C)C(CC=C(C)C)=C4)C(=O)OC3=C2C)OC1(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Novobiocin GC-MS (TMS_3_8) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C31H36N2O11 |
| Molecular Weight (Monoisotopic Mass): | 612.2319 Da |
| Derivative Type: | TMS_3_8 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CO[C@@H]1[C@@H](OC(=O)N[Si](C)(C)C)[C@@H](O)[C@H](OC2=CC=C3C(O[Si](C)(C)C)=C(NC(=O)C4=CC=C(O[Si](C)(C)C)C(CC=C(C)C)=C4)C(=O)OC3=C2C)OC1(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 750 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available